Phenylacetylene

Phenylacetylene

SCHEMBL19458458

C#Cc1ccccc1.O=C(O)OC(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
PTPN1 P18031 2/20 0.37
FFAR1 O14842 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
APP P05067 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALOX15 P16050 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Phenylacetylene SCHEMBL165892 0.85 CYP2C9 (0.44) CYP2C9PTPN1FFAR1APPHDAC8
Phenylacetylene SCHEMBL28065991 0.81 CYP2C9 (0.42) CYP2C9PTPN1FFAR1LMNAMAPT
Phenylacetylene SCHEMBL27903263 0.81 LMNA (0.50) KMT2ALMNAMAPTSMN1; SMN2
Phenylacetylene SCHEMBL6891916 0.80 APP (0.53) CYP2C9PTPN1MAPTAPPHDAC8
Phenylacetylene SCHEMBL1331558 0.80
Phenylacetylene SCHEMBL4884 0.80
Phenylacetylene SCHEMBL1331408 0.80
Phenylacetylene SCHEMBL4297769 0.80
Phenylacetylene SCHEMBL1331398 0.80
Phenylacetylene SCHEMBL27795197 0.80 APP (0.53) CYP2C9PTPN1MAPTAPPHDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555053-B1 POSITIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2017-10-18 EP claimed